arXiv Machine Learning

Geometric Algebra Meets Cartesian Tensors: Higher-Order Equivariance for Interatomic Potentials

arXiv:2606. 29584v1 Announce Type: cross Abstract: $\mathrm{Cl}(3,0)$ interatomic potentials, despite their algebraic elegance, predict force magnitudes accurately but force directions poorly.

arXiv Machine Learning
Jul 30

Exact Symmetry as Algebra: A Machine-Verified Tensor Calculus that Enforces Physical Selection Rules

arXiv:2605. 20440v2 Announce Type: replace Abstract: Symmetry is central to the physical sciences, yet machine learning usually captures it only approximately, leaving a residual per-step equivariance error $\varepsilon$ that compounds with depth $M$ as $M\varepsilon$, whereas exact equivariance holds at unbounded depth; we demonstrate this divergence at fourteen orders of magnitude.

By Paulina Hoyos, Shashanka Ubaru, Dongsung Huh, Vasileios Kalantzis, Kenneth L. Clarkson, Misha Kilmer, Haim Avron, Lior Horesh
arXiv AI
1d ago

LORA-CRAFT: Cross-layer Rank Adaptation via Frozen Tucker Decomposition of Pre-trained Attention Weights

arXiv:2602. 17510v2 Announce Type: replace-cross Abstract: We introduce LoRA-CRAFT (\textbf{C}ross-layer \textbf{R}ank \textbf{A}daptation via \textbf{F}rozen \textbf{T}ucker), abbreviated CRAFT throughout, an extremely parameter-efficient fine-tuning (PEFT) method that applies Tucker tensor decomposition to pre-trained attention weight matrices stacked across transformer layers and trains only small square adaptation matrices on the resulting frozen Tucker factors.

By Kasun Dewage, Marianna Pensky, Suranadi De Silva, Shankadeep Mondal
arXiv Machine Learning
Jun 2

Benchmark Dataset for Catalysis on 2D MXenes

arXiv:2606. 00794v1 Announce Type: cross Abstract: Merging first-principles calculations with machine learning (ML), we aim to accelerate the exploration of catalytic behaviour in novel materials.

By Pavlo Melnyk, Anmar Karmush, M{\aa}rten Wadenb\"ack, Ania Beatriz Rodr\'iguez-Barrera, Johanna Rosen, Michael Felsberg, Jonas Bj\"ork